Information card for entry 2218773

Structure parameters

• Chemical name: rac-(1S,2R)-Diethyl 6-hydroxy-1-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1H- benzo[f]chromen-2-yl]phosphonate
• Formula: C24 H25 O7 P
• Calculated formula: C24 H25 O7 P
• SMILES: P(=O)(OCC)(OCC)[C@H]1C(=O)Oc2c([C@@H]1c1ccc(OC)cc1)c1c(c(O)c2)cccc1.P(=O)(OCC)(OCC)[C@@H]1C(=O)Oc2c([C@H]1c1ccc(OC)cc1)c1c(c(O)c2)cccc1
• Title of publication: <i>rac</i>-(1<i>S</i>,2<i>R</i>)-Diethyl 6-hydroxy-1-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-2-yl]phosphonate
• Authors of publication: Wojciechowski, Jakub; Krawczyk, Henryk; Albrecht, Łukasz; Wolf, Wojciech M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1240 - o1241
• a: 21.6231 ± 0.0017 Å
• b: 10.0018 ± 0.0008 Å
• c: 22.4011 ± 0.0017 Å
• α: 90°
• β: 111.806 ± 0.001°
• γ: 90°
• Cell volume: 4498 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes